[2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol

C24H25ClN2O2 — CID 156815222

IUPAC[2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol
SMILESCc1ccccc1Oc1ccc(C2CCN(Cc3ncccc3Cl)C2)c(CO)c1
InChIInChI=1S/C24H25ClN2O2/c1-17-5-2-3-7-24(17)29-20-8-9-21(19(13-20)16-28)18-10-12-27(14-18)15-23-22(25)6-4-11-26-23/h2-9,11,13,18,28H,10,12,14-16H2,1H3
InChIKeyNTUFUUOEOONISK-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.32
Rot. Bonds6

About [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol

[2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol (PubChem CID 156815222) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol
PubChem CID156815222
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name[2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol
SMILESCc1ccccc1Oc1ccc(C2CCN(Cc3ncccc3Cl)C2)c(CO)c1
InChIInChI=1S/C24H25ClN2O2/c1-17-5-2-3-7-24(17)29-20-8-9-21(19(13-20)16-28)18-10-12-27(14-18)15-23-22(25)6-4-11-26-23/h2-9,11,13,18,28H,10,12,14-16H2,1H3
InChIKeyNTUFUUOEOONISK-UHFFFAOYSA-N
XLogP5.32
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90407027
CID 90407027
CID 90407441
CID 90407441
CID 118491918
CID 118491918
CID 44373192
CID 44373192
CID 44535869
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CID 56658938
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CID 56669042
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CID 56679206

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol?
The IUPAC name of [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol (CID 156815222) is [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol.
What is the SMILES notation for [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol?
The canonical SMILES for [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol is Cc1ccccc1Oc1ccc(C2CCN(Cc3ncccc3Cl)C2)c(CO)c1.
What is the InChIKey of [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol?
The InChIKey is NTUFUUOEOONISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-17-5-2-3-7-24(17)29-20-8-9-21(19(13-20)16-28)18-10-12-27(14-18)15-23-22(25)6-4-11-26-23/h2-9,11,13,18,28H,10,12,14-16H2,1H3.
What are the key properties of [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol?
[2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol has a molecular weight of 408.93 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]-5-(2-methylphenoxy)phenyl]methanol is sourced from PubChem (CID 156815222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).